N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide

C12H19N3O2S — CID 63301799

IUPACN-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N(C)C1CCNC1
InChIInChI=1S/C12H19N3O2S/c1-13-18(16,17)12-6-4-3-5-11(12)15(2)10-7-8-14-9-10/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyLALZYPBRWUECAM-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.39
Rot. Bonds4

About N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide

N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide (PubChem CID 63301799) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
PubChem CID63301799
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1N(C)C1CCNC1
InChIInChI=1S/C12H19N3O2S/c1-13-18(16,17)12-6-4-3-5-11(12)15(2)10-7-8-14-9-10/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyLALZYPBRWUECAM-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[piperidin-3-yl(propyl)amino]benzenesulfonamide
CID 63636485
N-[2-(difluoromethylsulfonyl)phenyl]-N-methylpiperidin-3-amine
CID 63643765
2-[azetidin-3-yl(propyl)amino]-N-methylbenzenesulfonamide
CID 66215341
2-[(2-aminocyclohexyl)-methylamino]-N-methylbenzenesulfonamide
CID 102639688
N-(1-benzofuran-3-yl)-N-methylpyrrolidin-3-amine
CID 115118778
N-methyl-3-methylsulfonyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 114599260
2-[ethyl(piperidin-3-ylmethyl)amino]-N-methylbenzenesulfonamide
CID 106643534
N-(2-ethylsulfonylphenyl)-N-propylpyrrolidin-3-amine
CID 63304180
4-[azetidin-3-yl(methyl)amino]-N-methylbenzenesulfonamide
CID 66183974
N-methyl-2-piperidin-3-yloxybenzenesulfonamide
CID 62348851
N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 115118753
N-[2-(difluoromethylsulfonyl)phenyl]-N-propylpyrrolidin-3-amine
CID 63304136

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide (CID 63301799) is N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccccc1N(C)C1CCNC1.
What is the InChIKey of N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide?
The InChIKey is LALZYPBRWUECAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13-18(16,17)12-6-4-3-5-11(12)15(2)10-7-8-14-9-10/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide?
N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(pyrrolidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 63301799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).